CID 853664

1,3-dicyclohexyl-1-methylurea

Structural Information

Molecular Formula
C14H26N2O
SMILES
CN(C1CCCCC1)C(=O)NC2CCCCC2
InChI
InChI=1S/C14H26N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h12-13H,2-11H2,1H3,(H,15,17)
InChIKey
CAPAGWIKRVCJSA-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

238.20451 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.211786 158.9
[M+Na]+ 261.193728 157.8
[M-H]- 237.197234 164.3
[M+NH4]+ 256.238333 175.4
[M+K]+ 277.167668 156.9
[M+H-H2O]+ 221.201770 150.7
[M+HCOO]- 283.202711 176.5
[M+CH3COO]- 297.218361 198.2
[M+Na-2H]- 259.179176 159.6
[M]+ 238.20396142 149.1
[M]- 238.20505858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe